6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine

C17H23N3 — CID 82305702

IUPAC6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2c(C)cc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3/c1-10-7-13(17(4,5)6)8-11(2)16(10)14-9-15(18)20-12(3)19-14/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyGSVYLMMMOHDQRP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.95
Rot. Bonds1

About 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine

6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 82305702) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine
PubChem CID82305702
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2c(C)cc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C17H23N3/c1-10-7-13(17(4,5)6)8-11(2)16(10)14-9-15(18)20-12(3)19-14/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyGSVYLMMMOHDQRP-UHFFFAOYSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine
CID 114879311
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
4,6-ditert-butylpyridin-2-amine
CID 166788497
2-methyl-6-methylsulfanylpyrimidin-4-amine
CID 80885206
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
6-(3-fluoropyrazin-2-yl)-2-methylpyrimidin-4-amine
CID 66599871
2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784394
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
6-(4-aminopyrimidin-5-yl)-2-methylpyrimidin-4-amine
CID 66958149
6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
CID 80874583

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine (CID 82305702) is 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(-c2c(C)cc(C(C)(C)C)cc2C)n1.
What is the InChIKey of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is GSVYLMMMOHDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-10-7-13(17(4,5)6)8-11(2)16(10)14-9-15(18)20-12(3)19-14/h7-9H,1-6H3,(H2,18,19,20).
What are the key properties of 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine?
6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 82305702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).